4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol

C16H22F8O4 — CID 152654240

IUPAC4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol
SMILESCC=COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(O)COC=CC
InChIInChI=1S/C16H22F8O4/c1-3-5-27-9-11(25)7-13(17,18)15(21,22)16(23,24)14(19,20)8-12(26)10-28-6-4-2/h3-6,11-12,25-26H,7-10H2,1-2H3
InChIKeyZIENHWYONKZRAC-UHFFFAOYSA-N
MW430.33 g/mol
LogP4.13
Rot. Bonds13

About 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol

4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol (PubChem CID 152654240) has the molecular formula C16H22F8O4 and a molecular weight of 430.33 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol
PubChem CID152654240
Molecular FormulaC16H22F8O4
Molecular Weight430.33 g/mol
Exact Mass430.14
IUPAC Name4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol
SMILESCC=COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(O)COC=CC
InChIInChI=1S/C16H22F8O4/c1-3-5-27-9-11(25)7-13(17,18)15(21,22)16(23,24)14(19,20)8-12(26)10-28-6-4-2/h3-6,11-12,25-26H,7-10H2,1-2H3
InChIKeyZIENHWYONKZRAC-UHFFFAOYSA-N
XLogP4.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol with MolForge

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Related Compounds

(2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol
CID 131246750
4,4,5,5,6,6,7,7,7-nonafluoro-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 175898176
[4,4,5,5,6,6,7,7-octafluoro-2,9-dihydroxy-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 15507715
bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-nonacosafluoro-2-hydroxyheptadecyl) (Z)-but-2-enedioate
CID 102118584
(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl) 2-methylprop-2-enoate
CID 2779093
(4,4,5,5,6,6,7,7-octafluoro-2,9-dihydroxydecyl) 2-methylprop-2-enoate
CID 89077221
bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-nonadecafluoro-2-hydroxydodecyl) hexanedioate
CID 101279924
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxydecyl) 3,3-dimethyl-2-methylidenebutanoate
CID 23539943
1-(dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
CID 138396345
[4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl] 2-methylprop-2-enoate
CID 2776226
[(2R)-4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] prop-2-enoate
CID 97290991
[4,4,5,5,6,6,7,7,8,9,9,10,10,11,11,11-hexadecafluoro-2-hydroxy-8-(trifluoromethyl)undecyl] prop-2-enoate
CID 175231890

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol?
The IUPAC name of 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol (CID 152654240) is 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol.
What is the SMILES notation for 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol?
The canonical SMILES for 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol is CC=COCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(O)COC=CC.
What is the InChIKey of 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol?
The InChIKey is ZIENHWYONKZRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F8O4/c1-3-5-27-9-11(25)7-13(17,18)15(21,22)16(23,24)14(19,20)8-12(26)10-28-6-4-2/h3-6,11-12,25-26H,7-10H2,1-2H3.
What are the key properties of 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol?
4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol has a molecular weight of 430.33 g/mol, XLogP of 4.13, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol is sourced from PubChem (CID 152654240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).